2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide

C13H26N2O2 — CID 62783140

IUPAC2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CC1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-2-17-8-4-7-15-13(16)10-11-5-3-6-12(14)9-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyDISHFEVJOOTPDL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds7

About 2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide

2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide (PubChem CID 62783140) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide
PubChem CID62783140
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CC1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-2-17-8-4-7-15-13(16)10-11-5-3-6-12(14)9-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyDISHFEVJOOTPDL-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminocyclohexyl)-N-pentylacetamide
CID 62783155
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307941
N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307815
3-(3-ethoxypropyl)cyclohexan-1-amine
CID 65178011
2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide
CID 62782744
2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 62783174
N-(2-ethoxyethyl)-2-piperidin-3-ylacetamide
CID 62689521
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
CID 62781434

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide (CID 62783140) is 2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)CC1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide?
The InChIKey is DISHFEVJOOTPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-17-8-4-7-15-13(16)10-11-5-3-6-12(14)9-11/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide?
2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 62783140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).